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Informationen zum Autor Richard G. Brereton, 1979-1983 : University of Cambridge, 1983 - : University of Bristol, current position Professor and Director of the Centre of Chemometrics, B.A., (Hons) 1976 (Natural Sciences, speciality chemistry; University of Cambridge), M.A., 1980 (University of Cambridge), Ph.D., 1981 (Thesis : Spectroscopic Studies of Bacteriochlorophyll a ; supervisor : Prof. J.K.M.Sanders, FRS, Chemical Laboratory, University of Cambridge), MRSC, C.Chem., 1991 (Royal Society of Chemistry) Over 1250 citations in the literature, 60+ invited lectures, 30+ seminars given, 2 authored books, contributed to 9 edited works and has co-edited 3 books. Served as Associate Editor Chemometrics and Intelligent Laboratory Systems (Elsevier) for 5 years. Taught in undergraduate and graduate courses for over 20 years, written extensively in the application of Chemometrics. Klappentext This book has arisen as a result of a series of short articles that were written between 1999 and 2003 for www.chemweb.com, which have been thoroughly updated and expanded. The book introduces most of the basic tools of chemometrics including experimental design, signal analysis, basic statistical concepts and multivariate methods. It then discusses a number of important applications including food chemistry, biomedical pattern recognition, reaction monitoring, optimisation of processes, chromatography, the bioinformatics interface, and multivariate image analysis, and includes a wide range of topics such as process analytical technology and metabolomics. This particular book differs from existing general texts in the area in that it is very much focussed on applications and on how chemometrics can be used in modern day scientific practice. Many of the important growth points over the past decade are presented, as chemometrics has metamorphosed from a subject that originated in many people's minds as an extension of statistical analytical chemistry into a very diverse area applicable to many forms of modern science. The current text is aimed primarily at the scientific user of chemometrics methods. However it should also serve as a very valuable aid to lectures in this area, as the majority of people who are introduced to chemometrics are primarily interested in how the methods can be applied to real world problems. Zusammenfassung The book introduces most of the basic tools of chemometrics including experimental design! signal analysis! statistical methods for analytical chemistry and multivariate methods. Inhaltsverzeichnis Preface. 1 Introduction. 1.1 Development of Chemometrics. 1.2 Application Areas. 1.3 How to Use this Book. 1.4 Literature and Other Sources of Information. References. 2 Experimental Design. 2.1 Why Design Experiments in Chemistry? 2.2 Degrees of Freedom and Sources of Error. 2.3 Analysis of Variance and Interpretation of Errors. 2.4 Matrices, Vectors and the Pseudoinverse. 2.5 Design Matrices. 2.6 Factorial Designs. 2.7 An Example of a Factorial Design. 2.8 Fractional Factorial Designs. 2.9 Plackett-Burman and Taguchi Designs. 2.10 The Application of a Plackett-Burman Design to the Screening of Factors Influencing a Chemical Reaction. 2.11 Central Composite Designs. 2.12 Mixture Designs. 2.13 A Four Component Mixture Design Used to Study Blending of Olive Oils. 2.14 Simplex Optimization. 2.15 Leverage and Confidence in Models. 2.16 Designs for Multivariate Calibration. References. 3 Statistical Concepts. 3.1 Statistics for Chemists. 3.2 Errors. 3.3 Describing Data. 3.4 The Normal Distribution. 3.5 Is a Distribution Normal? 3.6 Hypothesis Tests. 3.7 Compa...
